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1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea structure

CAS No:
186453-55-4
Formula:
C16H16BrN3O2S
Chemical Name:
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
Synonyms:
N-((3-Bromo-4-methoxyphenyl)methyl)-2-((2-hydroxyphenyl)methylene)hydrazinecarbothioamide; Hydrazinecarbothioamide,N-((3-bromo-4-methoxyphenyl)methyl)-2-((2-hydroxyphenyl)methylene);

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1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Basic Attributes

Molecular Weight：

394.28600

Exact Mass：

393.01466

Characteristics

PSA：

101.52000

XLogP3：

3.69850

Density：

1.542g/cm3

Boiling Point：

522ºC

Flash Point：

269.5ºC

Refractive Index：

1.706

Vapor Pressure：

5.4E-11mmHg at 25°C

Computed Properties

Molecular Weight:394.3
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:393.01466
Monoisotopic Mass:393.01466
Topological Polar Surface Area:98
Heavy Atom Count:23
Complexity:411
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: valproate sodium; boron trifluoride; disodium phosphate; cocl2; pentanol; nitrogen trioxide

Guide of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

Basic Attributes
Characteristics
Computed Properties

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